CID 4162

Methyprylon

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCC1(C(=O)C(CNC1=O)C)CC

InChI

InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)

InChIKey

SIDLZWOQUZRBRU-UHFFFAOYSA-N

Compound name

3,3-diethyl-5-methylpiperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 682
References: 30490
Patents: 183.12593 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.133206	139.6
[M+Na]+	206.115148	147.4
[M-H]-	182.118654	140.6
[M+NH4]+	201.159753	160.1
[M+K]+	222.089088	145.2
[M+H-H2O]+	166.123190	134.9
[M+HCOO]-	228.124131	157.6
[M+CH3COO]-	242.139781	180.8
[M+Na-2H]-	204.100596	143.2
[M]+	183.12538142	137.3
[M]-	183.12647858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe